0 mol 0 unq 0 iso 0 dist 9.83355 11.3895 7.48645 7.16396 6.64713 6.0597 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.72597 9.51421 8.42581 13.3326 6.74848 11.553 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.76527 12.4805 8.65019 15.5426 9.80143 4.70551 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.48391 10.3036 8.80104 4.92112 6.40693 7.66647 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.89661 11.2152 7.85041 8.64726 7.62611 6.957 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.07991 12.9601 8.06525 14.3305 9.35942 9.47219 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.67321 11.1982 6.82089 15.6039 9.13191 6.08911 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 7.67321 11.1982 6.82089 8.90781 6.95405 11.562 numMergedOcc 0
8 mol 130 unq 2 iso 0 dist 7.67321 6.1956 5.38314 15.6039 9.13191 10.0581 numMergedOcc 0
9 mol 130 unq 3 iso 0 dist 7.67321 6.1956 5.38314 8.90781 6.95405 7.20197 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.95533 10.6903 5.1101 14.6343 7.25644 10.7872 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 9.95533 15.5982 7.01133 14.6343 7.25644 7.66774 numMergedOcc 0
12 mol 147 unq 2 iso 0 dist 7.94147 12.5048 5.1101 5.93581 7.25644 10.7872 numMergedOcc 0
13 mol 147 unq 3 iso 0 dist 7.94147 12.2623 7.01133 5.93581 7.25644 7.66774 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 8.67619 5.51913 8.21476 17.985 9.79069 15.4471 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 8.67619 5.51913 8.21476 8.49413 9.27496 9.33755 numMergedOcc 0
16 mol 163 unq 2 iso 0 dist 8.67619 11.5521 7.66897 17.985 9.79069 9.54216 numMergedOcc 0
17 mol 163 unq 3 iso 0 dist 8.67619 11.5521 7.66897 8.49413 9.27496 10.7572 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.86144 6.23042 7.345 5.71112 7.11785 9.87435 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.86144 12.032 9.52987 5.71112 7.11785 14.6648 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 7.46207 6.6036 8.76185 9.7127 7.8141 10.8409 numMergedOcc 0
21 mol 193 unq 1 iso 0 dist 7.46207 6.6036 8.76185 10.7013 8.43187 5.97706 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.2457 12.7871 9.06084 6.2709 6.00582 6.56416 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 4.80092 5.91451 7.55161 10.8122 9.18635 12.015 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.06496 9.69453 7.25677 10.0166 7.85414 6.56697 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 9.67619 6.87868 9.80746 7.41736 7.21972 11.3687 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 9.67619 10.7269 9.48589 7.41736 7.21972 7.83538 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.84195 9.55097 8.23056 13.3542 9.30921 6.29016 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 9.2174 9.91994 8.23056 12.0995 9.30921 6.29016 numMergedOcc 0
